(Q104170737)

English

6-[4,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid

group of stereoisomers with the chemical formula C₃₀H₄₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

516.3087037479999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₇

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=C(C(=O)C(O)C12C)C4(C)CCC(=O)C(C)(CO)C4CC3O)C)C

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Identifiers

InChI

InChI=1S/C30H44O7/c1-16(8-7-9-17(2)26(36)37)18-10-13-29(5)22-19(32)14-20-27(3,12-11-21(33)28(20,4)15-31)23(22)24(34)25(35)30(18,29)6/h9,16,18-20,25,31-32,35H,7-8,10-15H2,1-6H3,(H,36,37)

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InChIKey

KZSJJLYAVJDVEZ-UHFFFAOYSA-N

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PubChem CID

163064728

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KZSJJLYAVJDVEZ-UHFFFAOYSA-N

(Q104170737)

6-[4,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid

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